2-chloro-5-fluoro-6-phenylpyrimidin-4-amine

C10H7ClFN3 — CID 129216031

IUPAC2-chloro-5-fluoro-6-phenylpyrimidin-4-amine
SMILESNc1nc(Cl)nc(-c2ccccc2)c1F
InChIInChI=1S/C10H7ClFN3/c11-10-14-8(7(12)9(13)15-10)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15)
InChIKeyWJIRDPOBUQLICM-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine

2-chloro-5-fluoro-6-phenylpyrimidin-4-amine (PubChem CID 129216031) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-phenylpyrimidin-4-amine
PubChem CID129216031
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name2-chloro-5-fluoro-6-phenylpyrimidin-4-amine
SMILESNc1nc(Cl)nc(-c2ccccc2)c1F
InChIInChI=1S/C10H7ClFN3/c11-10-14-8(7(12)9(13)15-10)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15)
InChIKeyWJIRDPOBUQLICM-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine (CID 129216031) is 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine is Nc1nc(Cl)nc(-c2ccccc2)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine?
The InChIKey is WJIRDPOBUQLICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c11-10-14-8(7(12)9(13)15-10)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15).
What are the key properties of 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine?
2-chloro-5-fluoro-6-phenylpyrimidin-4-amine has a molecular weight of 223.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 129216031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).